input word = C00019934

Metabolite InformationStructural formula
Name Isobyakangelicin angelate
Formula C22H24O8
Mw 416.14711774
CAS RN 116988-91-1
C_ID C00019934 ,
InChIKey VTMREZQNDKWTII-SDQBBNPINA-N
InChICode InChI=1S/C22H24O8/c1-6-12(2)21(24)29-15(22(3,4)25)11-28-17-13-7-8-16(23)30-19(13)20(26-5)18-14(17)9-10-27-18/h6-10,15,25H,11H2,1-5H3/b12-6-/t15-/m0/s1
SMILES c1(c2c(c(c3c1occ3)OC[C@@H](C(O)(C)C)OC(=O)/C(=C\C)/C)ccc(=O)o2)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaePeucedanum palustre Ref.
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OrganismPeucedanum palustre
ReferenceVuorela,Planta.Med.,54,(1988),538